3-(2-hydroxy-5-methylidene-2H-pyrrol-1-yl)propanoic acid

C8H11NO3 — CID 89369310

IUPAC3-(2-hydroxy-5-methylidene-2H-pyrrol-1-yl)propanoic acid
SMILESC=C1C=CC(O)N1CCC(=O)O
InChIInChI=1S/C8H11NO3/c1-6-2-3-7(10)9(6)5-4-8(11)12/h2-3,7,10H,1,4-5H2,(H,11,12)
InChIKeyMOLSCGHIROVOKS-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.17
Rot. Bonds3

About 3-(2-hydroxy-5-methylidene-2H-pyrrol-1-yl)propanoic acid

3-(2-hydroxy-5-methylidene-2H-pyrrol-1-yl)propanoic acid (PubChem CID 89369310) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3-(2-hydroxy-5-methylidene-2H-pyrrol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-hydroxy-5-methylidene-2H-pyrrol-1-yl)propanoic acid
PubChem CID89369310
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name3-(2-hydroxy-5-methylidene-2H-pyrrol-1-yl)propanoic acid
SMILESC=C1C=CC(O)N1CCC(=O)O
InChIInChI=1S/C8H11NO3/c1-6-2-3-7(10)9(6)5-4-8(11)12/h2-3,7,10H,1,4-5H2,(H,11,12)
InChIKeyMOLSCGHIROVOKS-UHFFFAOYSA-N
XLogP0.17
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-5-methylidene-2H-pyrrol-1-yl)propanoic acid?
The IUPAC name of 3-(2-hydroxy-5-methylidene-2H-pyrrol-1-yl)propanoic acid (CID 89369310) is 3-(2-hydroxy-5-methylidene-2H-pyrrol-1-yl)propanoic acid.
What is the SMILES notation for 3-(2-hydroxy-5-methylidene-2H-pyrrol-1-yl)propanoic acid?
The canonical SMILES for 3-(2-hydroxy-5-methylidene-2H-pyrrol-1-yl)propanoic acid is C=C1C=CC(O)N1CCC(=O)O.
What is the InChIKey of 3-(2-hydroxy-5-methylidene-2H-pyrrol-1-yl)propanoic acid?
The InChIKey is MOLSCGHIROVOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-6-2-3-7(10)9(6)5-4-8(11)12/h2-3,7,10H,1,4-5H2,(H,11,12).
What are the key properties of 3-(2-hydroxy-5-methylidene-2H-pyrrol-1-yl)propanoic acid?
3-(2-hydroxy-5-methylidene-2H-pyrrol-1-yl)propanoic acid has a molecular weight of 169.18 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-5-methylidene-2H-pyrrol-1-yl)propanoic acid is sourced from PubChem (CID 89369310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).